[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

C8H9N3O2 — CID 115004199

IUPAC[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cc2ccco2)no1
InChIInChI=1S/C8H9N3O2/c9-5-8-10-7(11-13-8)4-6-2-1-3-12-6/h1-3H,4-5,9H2
InChIKeyRNDYXCBFIZPCAT-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.71
Rot. Bonds3

About [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 115004199) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID115004199
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cc2ccco2)no1
InChIInChI=1S/C8H9N3O2/c9-5-8-10-7(11-13-8)4-6-2-1-3-12-6/h1-3H,4-5,9H2
InChIKeyRNDYXCBFIZPCAT-UHFFFAOYSA-N
XLogP0.71
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-3-(furan-2-ylmethyl)-1,2,4-oxadiazole
CID 71364887
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115079599
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079625
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337738
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 134018549
1-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115004180
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
CID 61024158
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647862
furan-2-ylmethanamine;methane
CID 20976999
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 51075896

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 115004199) is [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(Cc2ccco2)no1.
What is the InChIKey of [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is RNDYXCBFIZPCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-5-8-10-7(11-13-8)4-6-2-1-3-12-6/h1-3H,4-5,9H2.
What are the key properties of [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 179.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 115004199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).